/*! \page pw2lcaoDoc pw2lcao


\section description Description

Basic usage: pw2lcao [inputfile] <br>

\section howto HOWTO

<p>
1)  Prepare a basis file in a modified GAMESS format.  It should have
a list of sections like:
<pre>
BASIS {
C
AOSPLINE
  NORENORMALIZE
  GAMESS {
    S   5
               1        8.13804      0.0117959
               2        3.31518      -0.151981
               3       0.668276       0.275523
               4       0.291768       0.548645
               5       0.114113       0.301215
    S   1
               1         0.9059              1
    S   1
               1         0.1285              1
    P   5
               1        8.52813      0.0235124
               2        2.90145       0.116486
               3       0.943121       0.327774
               4       0.315586       0.492602
               5       0.103936       0.273124
    P   1
               1         0.3827              1
    P   1
              1         0.1209              1
    6D   1
               1           0.55              1
  }
}
</pre>

Note the NORENORMALIZE; since it is essentially doing a periodic
calculation, the normalization is kind of a nebulous quantity, so
it's best to just take the basis functions as they are.  Also,
if it's a solids-type calculation, make sure to be careful about
putting very diffuse Gaussians in.  It will really slow down
the fitting process and the QMC run.  On the other hand, make sure
that the overlaps printed out have converged with respect to the
basis, especially when doing pressure or force calculations, since
they can be easily biased with a small basis.
</p>

<p>
2) Run jeep2qmc with the -lcao option..  For example, for ch4, I
would run <pre> jeep2qmc -ecut 30 -lcao ch4.basis -o ch4_qmc ch4
</pre>
It should create the normal files, as well as a ch4_qmc.pw2lcao and
ch4.basis.centers .
</p>

<p>
3) Run
<pre>
pw2lcao  ch4_qmc.pw2lcao
</pre>
After it runs, the qmc run should be set up to go.
</p>


<p>
pw2lcao can also be run in parallel, with exactly the same usage.
</p>

*/
